SCHEMBL1730725

SCHEMBL1730725

CC(=O)N(C)C1CCN(OC(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.73
MCHR1 Q99705 1/20 0.47
KCNH2 Q12809 4/20 0.45
CYP3A4 P08684 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1729395 0.88 HRH3 (0.75) HRH3CYP3A4
SCHEMBL1730366 0.85 HRH3 (0.74) HRH3KCNH2CYP3A4
SCHEMBL1728305 0.84 HRH3 (1.00) HRH3MCHR1KCNH2CYP3A4
SCHEMBL1730724 0.83 HRH3 (0.77) HRH3KCNH2CYP3A4
SCHEMBL1729463 0.83 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL1728136 0.81 HRH3 (0.74) HRH3KCNH2CYP3A4
SCHEMBL1728321 0.81 HRH3 (0.65) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL1728180 0.79 HRH3 (0.88) HRH3MCHR1KCNH2
Cyclopropane SCHEMBL2428838 0.76 HRH3 (0.79) HRH3KCNH2CYP3A4
SCHEMBL2427819 0.76 HRH3 (0.65) HRH3KCNH2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP claimed